Instructions
Input Data
1. Single SMILES String
2. Drawing Molecule
Molecule Evaluation
1. Specific mechanism FH detection
2. Credible FH screening rules
Output Summary
SMILES |
structure graphs |
prediction score |
substructure prediction result |
Calculation
Tip
- Before submitting, users should prepare a valid SMILES in case of errors.
- Molecules composed of more than 128 atoms are not recommended for evaluation.